3-(methylsulfanylmethyl)oxolane

C6H12OS — CID 66920717

IUPAC3-(methylsulfanylmethyl)oxolane
SMILESCSCC1CCOC1
InChIInChI=1S/C6H12OS/c1-8-5-6-2-3-7-4-6/h6H,2-5H2,1H3
InChIKeyVGFUWLOTIQBNNG-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.39
Rot. Bonds2

About 3-(methylsulfanylmethyl)oxolane

3-(methylsulfanylmethyl)oxolane (PubChem CID 66920717) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)oxolane
PubChem CID66920717
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-(methylsulfanylmethyl)oxolane
SMILESCSCC1CCOC1
InChIInChI=1S/C6H12OS/c1-8-5-6-2-3-7-4-6/h6H,2-5H2,1H3
InChIKeyVGFUWLOTIQBNNG-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)oxolane?
The IUPAC name of 3-(methylsulfanylmethyl)oxolane (CID 66920717) is 3-(methylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(methylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(methylsulfanylmethyl)oxolane is CSCC1CCOC1.
What is the InChIKey of 3-(methylsulfanylmethyl)oxolane?
The InChIKey is VGFUWLOTIQBNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-5-6-2-3-7-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)oxolane?
3-(methylsulfanylmethyl)oxolane has a molecular weight of 132.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)oxolane is sourced from PubChem (CID 66920717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).